Papers › Robust Optimization as Data Augmentation for Large-scale Graphs

Robust Optimization as Data Augmentation for Large-scale Graphs

19 Oct 2020CVPR 2022 1arXiv:2010.09891archive 2025-07-28

Kezhi Kong, Guohao Li, Mucong Ding, Zuxuan Wu, Chen Zhu, Bernard Ghanem, Gavin Taylor, Tom Goldstein

Data augmentation helps neural networks generalize better by enlarging the training set, but it remains an open question how to effectively augment graph data to enhance the performance of GNNs (Graph Neural Networks). While most existing graph regularizers focus on manipulating graph topological structures by adding/removing edges, we offer a method to augment node features for better performance. We propose FLAG (Free Large-scale Adversarial Augmentation on Graphs), which iteratively augments node features with gradient-based adversarial perturbations during training. By making the model invariant to small fluctuations in input data, our method helps models generalize to out-of-distribution samples and boosts model performance at test time. FLAG is a general-purpose approach for graph data, which universally works in node classification, link prediction, and graph classification tasks. FLAG is also highly flexible and scalable, and is deployable with arbitrary GNN backbones and large-scale datasets. We demonstrate the efficacy and stability of our method through extensive experiments and ablation studies. We also provide intuitive observations for a deeper understanding of our method.

PaperPDFConference PDFCodeCode Syntology ran

In Syntology Open this paper in Syntology's Atlas, the map of the papers in Syntology's graph and their citations.

For agents, Syntology's MCP tool lists every function and class Syntology harvested from this paper and whether it ran (how to connect): get_harvested_code_for_paper(arxiv_id="2010.09891")

Code

Syntology Ran 3 of 15 code samples harvested from 1 repository linked to this paper; 12 have no recorded run. Of those that ran: 1 ran · our draft was wrong; 2 ran with no contract checked.

By repository: official repository: 15 samples from 1 repository, 3 ran. The run record, sample by sample. “Ran” means executed on a synthesized input, not that the code is correct or reproduces the paper.

devnkong/FLAG officialmentioned in papermentioned on GitHubpytorchMIT report
sangyx/gtrick mentioned on GitHubpytorchMIT report
ytchx1999/GCN_res-FLAG mentioned on GitHubpytorch report

Repository list and official/mentioned flags are the archive's, frozen 2025-07-28. Reachability, where shown, is from one Syntology probe window (2026-09-16 to 2026-09-18); repositories not probed show nothing. GitHub stars are not tracked.

Code Syntology ran Syntology

15 samples harvested; 3 ran; 0 honoured the contract we drafted; 12 have no recorded run. Read from Syntology's graph 2026-09-24; that is when this build read the record, not when the samples ran.

1ran · our draft was wrong
2ran
12unverified

Licence: 0 of the 15 samples are pointer only, meaning Syntology does not serve that copy's text. This page shows no code text for any sample; each one links to its file in the repository.

Harvested from devnkong/FLAG. “Ran” means the sample executed on a synthesized input. It does not mean the output is correct, and nothing here reproduces the paper's results. “Honoured” and “violated” refer to a contract Syntology drafted from the code itself; “our draft was wrong” and “fixture could not drive it” are failures of Syntology's instrument, not of the code.

Each sample ends with its code_sha256, Syntology's identity for that exact code. An agent fetches the stored sample with Syntology's MCP tool get_code(code_sha256="…") (how to connect); click an identity to copy that call.

Repository labels, per sample. official repository: The archive marks this repository official for the paper. named in the paper: The archive records that the paper mentions this repository; it is not marked official. community (archive-listed): In the archive's code links for this paper, not marked official and not recorded as mentioned in the paper. found in paper text by Syntology: Syntology found this repository in the paper's own text; whether it is the authors' implementation is not asserted. community: Not in the archive's code links for this paper; a community repository Syntology harvested. Samples from a repository marked official are listed first. Licence labels name the repository's licence as recorded at harvest. “Pointer only” means Syntology does not serve that copy's text, for one of four reasons: no licence file was found; the licence was not identified; the licence is recorded as permissive but that copy's record is not marked cleared; or the licence is outside the permissive list Syntology serves text under (MIT, Apache-2.0, BSD and similar). Some licences outside that list permit redistribution, such as WTFPL, and GPL-3.0 under its conditions; they are simply not on the list. Hover a licence label for the reason. File links open the file on GitHub at the default branch, which may have changed since the harvest.

add_zeros devnkong/FLAG/deep_gcns_torch/utils/data_util.py official repository ran MIT (permissive) · a8175dac03aad20d · report
flag_biased devnkong/FLAG/ogb/attacks.py official repository ran MIT (permissive) · 070e6138d16be226 · report
norm_layer devnkong/FLAG/deep_gcns_torch/gcn_lib/dense/torch_nn.py official repository ran · our draft was wrong MIT (permissive) · 09e6ddb17c0adf28 · report
act_layer devnkong/FLAG/deep_gcns_torch/gcn_lib/dense/torch_nn.py official repository unverified MIT (permissive) · 81d31aad45664fa2 · report
batched_index_select devnkong/FLAG/deep_gcns_torch/gcn_lib/dense/torch_nn.py official repository unverified MIT (permissive) · cc3989d8108f91e4 · report
dense_knn_matrix devnkong/FLAG/deep_gcns_torch/gcn_lib/dense/torch_edge.py official repository unverified MIT (permissive) · 47e2e99992a9c1aa · report
flag devnkong/FLAG/ogb/attacks.py official repository unverified MIT (permissive) · de9538ff3dc26161 · report
flag_products devnkong/FLAG/ogb/attacks.py official repository unverified MIT (permissive) · a60e0e7261e1eeb3 · report
intersection devnkong/FLAG/deep_gcns_torch/utils/data_util.py official repository unverified MIT (permissive) · a80d4edda30ba597 · report
knn_graph_matrix devnkong/FLAG/deep_gcns_torch/gcn_lib/sparse/torch_edge.py official repository unverified MIT (permissive) · 16e18471c8106af0 · report
knn_matrix devnkong/FLAG/deep_gcns_torch/gcn_lib/sparse/torch_edge.py official repository unverified MIT (permissive) · ed908dafa30d8f12 · report
load_pretrained_models devnkong/FLAG/deep_gcns_torch/utils/ckpt_util.py official repository unverified MIT (permissive) · 3be91b595771f70b · report
load_pretrained_optimizer devnkong/FLAG/deep_gcns_torch/utils/ckpt_util.py official repository unverified MIT (permissive) · c845b58421ba1367 · report
pairwise_distance devnkong/FLAG/deep_gcns_torch/gcn_lib/dense/torch_edge.py official repository unverified MIT (permissive) · bc7cc66599be9207 · report
process_indexes devnkong/FLAG/deep_gcns_torch/utils/data_util.py official repository unverified MIT (permissive) · d2621e02b49ba256 · report

Tasks

Data AugmentationGraph ClassificationLink PredictionNode ClassificationNode Property PredictionOpen-Ended Question Answering

Results from the paper archive 2025-07-28

TaskDatasetModelMetricValueRank at snapshotLeaderboardReport
Graph Property Prediction ogbg-molhiv DeeperGCN+FLAG Ext. data No #23 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv DeeperGCN+FLAG Number of params 531976 #23 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv DeeperGCN+FLAG Test ROC-AUC 0.7942 ± 0.0120 #23 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv DeeperGCN+FLAG Validation ROC-AUC 0.8425 ± 0.0061 #23 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GIN+virtual node+FLAG Ext. data No #35 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GIN+virtual node+FLAG Number of params 3336306 #35 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GIN+virtual node+FLAG Test ROC-AUC 0.7748 ± 0.0096 #35 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GIN+virtual node+FLAG Validation ROC-AUC 0.8438 ± 0.0128 #35 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GCN+FLAG Ext. data No #38 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GCN+FLAG Number of params 527701 #38 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GCN+FLAG Test ROC-AUC 0.7683 ± 0.0102 #38 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GCN+FLAG Validation ROC-AUC 0.8176 ± 0.0087 #38 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GIN+FLAG Ext. data No #39 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GIN+FLAG Number of params 1885206 #39 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GIN+FLAG Test ROC-AUC 0.7654 ± 0.0114 #39 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molhiv GIN+FLAG Validation ROC-AUC 0.8225 ± 0.0155 #39 of 43 Archive leaderboard report
Graph Property Prediction ogbg-molpcba DeeperGCN+virtual node+FLAG Ext. data No #23 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba DeeperGCN+virtual node+FLAG Number of params 5550208 #23 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba DeeperGCN+virtual node+FLAG Test AP 0.2842 ± 0.0043 #23 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba DeeperGCN+virtual node+FLAG Validation AP 0.2952 ± 0.0029 #23 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GIN+virtual node+FLAG Ext. data No #25 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GIN+virtual node+FLAG Number of params 3374533 #25 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GIN+virtual node+FLAG Test AP 0.2834 ± 0.0038 #25 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GIN+virtual node+FLAG Validation AP 0.2912 ± 0.0026 #25 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GCN+virtual node+FLAG Ext. data No #29 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GCN+virtual node+FLAG Number of params 2017028 #29 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GCN+virtual node+FLAG Test AP 0.2483 ± 0.0037 #29 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GCN+virtual node+FLAG Validation AP 0.2556 ± 0.0040 #29 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GIN+FLAG Ext. data No #31 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GIN+FLAG Number of params 1923433 #31 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GIN+FLAG Test AP 0.2395 ± 0.0040 #31 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GIN+FLAG Validation AP 0.2451 ± 0.0042 #31 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GCN+FLAG Ext. data No #34 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GCN+FLAG Number of params 565928 #34 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GCN+FLAG Test AP 0.2116 ± 0.0017 #34 of 36 Archive leaderboard report
Graph Property Prediction ogbg-molpcba GCN+FLAG Validation AP 0.2150 ± 0.0022 #34 of 36 Archive leaderboard report
Graph Property Prediction ogbg-ppa DeeperGCN+FLAG Ext. data No #9 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa DeeperGCN+FLAG Number of params 2336421 #9 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa DeeperGCN+FLAG Test Accuracy 0.7752 ± 0.0069 #9 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa DeeperGCN+FLAG Validation Accuracy 0.7484 ± 0.0052 #9 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GIN+virtual node+FLAG Ext. data No #12 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GIN+virtual node+FLAG Number of params 3288042 #12 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GIN+virtual node+FLAG Test Accuracy 0.7245 ± 0.0114 #12 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GIN+virtual node+FLAG Validation Accuracy 0.6789 ± 0.0079 #12 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GCN+virtual node+FLAG Ext. data No #14 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GCN+virtual node+FLAG Number of params 1930537 #14 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GCN+virtual node+FLAG Test Accuracy 0.6944 ± 0.0052 #14 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GCN+virtual node+FLAG Validation Accuracy 0.6638 ± 0.0055 #14 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GIN+FLAG Ext. data No #15 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GIN+FLAG Number of params 1836942 #15 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GIN+FLAG Test Accuracy 0.6905 ± 0.0092 #15 of 18 Archive leaderboard report
Graph Property Prediction ogbg-ppa GIN+FLAG Validation Accuracy 0.6465 ± 0.0070 #15 of 18 Archive leaderboard report
Node Property Prediction ogbn-arxiv GAT+FLAG Ext. data No #38 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GAT+FLAG Number of params 1628440 #38 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GAT+FLAG Test Accuracy 0.7371 ± 0.0013 #38 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GAT+FLAG Validation Accuracy 0.7496 ± 0.0010 #38 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GCN_res + 8 layers + FLAG Ext. data No #56 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GCN_res + 8 layers + FLAG Number of params 155824 #56 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GCN_res + 8 layers + FLAG Test Accuracy 0.7276 ± 0.0024 #56 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GCN_res + 8 layers + FLAG Validation Accuracy 0.7389 ± 0.0012 #56 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GraphSAGE+FLAG Ext. data No #64 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GraphSAGE+FLAG Number of params 218664 #64 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GraphSAGE+FLAG Test Accuracy 0.7219 ± 0.0021 #64 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GraphSAGE+FLAG Validation Accuracy 0.7349 ± 0.0009 #64 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv DeeperGCN+FLAG Ext. data No #67 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv DeeperGCN+FLAG Number of params 491176 #67 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv DeeperGCN+FLAG Test Accuracy 0.7214 ± 0.0019 #67 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv DeeperGCN+FLAG Validation Accuracy 0.7311 ± 0.0009 #67 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GCN+FLAG Ext. data No #69 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GCN+FLAG Number of params 142888 #69 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GCN+FLAG Test Accuracy 0.7204 ± 0.0020 #69 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv GCN+FLAG Validation Accuracy 0.7330 ± 0.0010 #69 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv MLP+FLAG Ext. data No #84 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv MLP+FLAG Number of params 110120 #84 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv MLP+FLAG Test Accuracy 0.5602 ± 0.0019 #84 of 86 Archive leaderboard report
Node Property Prediction ogbn-arxiv MLP+FLAG Validation Accuracy 0.5817 ± 0.0011 #84 of 86 Archive leaderboard report
Node Property Prediction ogbn-mag R-GCN+FLAG Ext. data No #31 of 39 Archive leaderboard report
Node Property Prediction ogbn-mag R-GCN+FLAG Number of params 154366772 #31 of 39 Archive leaderboard report
Node Property Prediction ogbn-mag R-GCN+FLAG Test Accuracy 0.4737 ± 0.0048 #31 of 39 Archive leaderboard report
Node Property Prediction ogbn-mag R-GCN+FLAG Validation Accuracy 0.4835 ± 0.0036 #31 of 39 Archive leaderboard report
Node Property Prediction ogbn-products DeeperGCN+FLAG Ext. data No #35 of 64 Archive leaderboard report
Node Property Prediction ogbn-products DeeperGCN+FLAG Number of params 253743 #35 of 64 Archive leaderboard report
Node Property Prediction ogbn-products DeeperGCN+FLAG Test Accuracy 0.8193 ± 0.0031 #35 of 64 Archive leaderboard report
Node Property Prediction ogbn-products DeeperGCN+FLAG Validation Accuracy 0.9221 ± 0.0037 #35 of 64 Archive leaderboard report
Node Property Prediction ogbn-products GAT+FLAG Ext. data No #36 of 64 Archive leaderboard report
Node Property Prediction ogbn-products GAT+FLAG Number of params 751574 #36 of 64 Archive leaderboard report
Node Property Prediction ogbn-products GAT+FLAG Test Accuracy 0.8176 ± 0.0045 #36 of 64 Archive leaderboard report
Node Property Prediction ogbn-products GAT+FLAG Validation Accuracy 0.9251 ± 0.0006 #36 of 64 Archive leaderboard report
Node Property Prediction ogbn-products GraphSAGE+FLAG Ext. data No #49 of 64 Archive leaderboard report
Node Property Prediction ogbn-products GraphSAGE+FLAG Number of params 206895 #49 of 64 Archive leaderboard report
Node Property Prediction ogbn-products GraphSAGE+FLAG Test Accuracy 0.7936 ± 0.0057 #49 of 64 Archive leaderboard report
Node Property Prediction ogbn-products GraphSAGE+FLAG Validation Accuracy 0.9205 ± 0.0007 #49 of 64 Archive leaderboard report
Node Property Prediction ogbn-products MLP+FLAG Ext. data No #63 of 64 Archive leaderboard report
Node Property Prediction ogbn-products MLP+FLAG Number of params 103727 #63 of 64 Archive leaderboard report
Node Property Prediction ogbn-products MLP+FLAG Test Accuracy 0.6241 ± 0.0016 #63 of 64 Archive leaderboard report
Node Property Prediction ogbn-products MLP+FLAG Validation Accuracy 0.7688 ± 0.0014 #63 of 64 Archive leaderboard report
Node Property Prediction ogbn-proteins DeeperGCN+FLAG Ext. data No #13 of 26 Archive leaderboard report
Node Property Prediction ogbn-proteins DeeperGCN+FLAG Number of params 2374568 #13 of 26 Archive leaderboard report
Node Property Prediction ogbn-proteins DeeperGCN+FLAG Test ROC-AUC 0.8596 ± 0.0027 #13 of 26 Archive leaderboard report
Node Property Prediction ogbn-proteins DeeperGCN+FLAG Validation ROC-AUC 0.9132 ± 0.0022 #13 of 26 Archive leaderboard report

Ranks are positions in the archive's leaderboards as they stood at the 2025-07-28 snapshot. Results published since then are not among these rows, so a rank here is not a current standing.

Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections